SCHEMBL4832182

SCHEMBL4832182

Cc1cc(Nc2cccc(OCCCNCc3ccc4ccccc4c3)c2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.45
PPARG P37231 1/20 0.45
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
NCF1 P14598 1/20 0.43
ROCK1 Q13464 1/20 0.42
MC4R P32245 1/20 0.41
MC5R P33032 1/20 0.41
MC3R P41968 1/20 0.41
MITF O75030 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4633382 0.92 TSHR (0.62) TSHRHTTLMNANPC1PPARG
SCHEMBL4828030 0.90 TSHR (0.69) TSHRHTTLMNANPC1ABCB1
SCHEMBL4633373 0.89 TSHR (0.64) TSHRHTTLMNANPC1PPARG
SCHEMBL4829830 0.87 TSHR (0.54) TSHRHTTLMNANPC1DRD2
SCHEMBL4832413 0.87 TSHR (0.66) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832314 0.87 TSHR (0.70) TSHRHTTLMNANPC1ABCB1
SCHEMBL4834583 0.85 TSHR (0.61) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832383 0.85 TSHR (0.58) TSHRHTTLMNANPC1ABCB1
SCHEMBL4832247 0.85 TSHR (0.60) TSHRHTTLMNANPC1ABCB1
SCHEMBL4828164 0.84 TSHR (0.56) TSHRHTTLMNANPC1ABCB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885LMNA 3004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.